Model options: Enum classes

class mlip.models.options.Activation(*values)

Supported activation functions:

Options are: TANH = "tanh", SILU = "silu", RELU = "relu", ELU = "elu", SWISH = "swish", SIGMOID = "sigmoid", and NONE = "none".

class mlip.models.options.RadialEnvelope(*values)

Radial envelope options.

POLYNOMIAL

Polynomial envelope.

SOFT

Soft envelope.

class mlip.models.options.RadialBasis(*values)

Options for the radial basis.

GAUSS

Gaussian smearing.

EXPNORM

Exponential normal smearing.

BESSEL

Bessel functions.

mlip.models.options.parse_activation(act: Activation | str) → Callable[[Array], Array]

Parse activation function among available options.

See Activation.

mlip.models.options.parse_radial_envelope(envelope: RadialEnvelope | str) → Callable

Parse RadialEnvelope parameter among available options.

See RadialEnvelope.